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- Currently displaying 1801 - 1820 of 29256 publications
Energy landscapes for proteins described by the UNRES coarse-grained potential
Biophys Chem
(2023)
303
107107
(doi: 10.1016/j.bpc.2023.107107)
Global analysis of energy landscapes for materials modeling: A test case for C60
Journal of Chemical Physics
(2023)
159
104107
(doi: 10.1063/5.0167857)
Catalytic degradation of benzene at room temperature over FeN4O2 sites embedded in porous carbon.
J Hazard Mater
(2023)
460
132520
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
Physical Review B
(2023)
108
115112
(doi: 10.1103/PhysRevB.108.115112)
ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion
(2023)
(doi: 10.48550/arxiv.2309.03161)
Chemoenzymatic Photoreforming: A Sustainable Approach for Solar Fuel Generation from Plastic Feedstocks.
Journal of the American Chemical Society
(2023)
145
20355
(doi: 10.1021/jacs.3c05486)
Fully First-Principles Surface Spectroscopy with Machine Learning.
The journal of physical chemistry letters
(2023)
14
8175
(doi: 10.1021/acs.jpclett.3c01989)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
QRB Discov
(2023)
4
e7
(doi: 10.1017/qrd.2023.5)
Sodium Tetrakis(hexafluoroisopropyloxy)aluminates: Synthesis and Electrochemical Characterisation of a Room‐Temperature Solvated Ionic Liquid
ChemElectroChem
(2023)
11
e202300381
(doi: 10.1002/celc.202300381)
A Supramolecular Naphthalene Diimide Radical Anion with Efficient NIR‐II Photothermal Conversion for E. coli‐Responsive Photothermal Therapy
Angewandte Chemie (International ed. in English)
(2023)
62
e202308513
(doi: 10.1002/anie.202308513)
Sensing the DNA-mismatch tolerance of catalytically inactive Cas9 via barcoded DNA nanostructures in solid-state nanopores (vol 8, pg 325, 2024)
Nat Biomed Eng
(2023)
8
335
(doi: 10.1038/s41551-023-01099-x)
Effects of Processing‐Induced Contamination on Organic Electronic Devices
Small Methods
(2023)
7
e2300476
(doi: 10.1002/smtd.202300476)
Of hopeful narratives and historical injustices - An analysis of just transition narratives in European coal regions
Energy Research and Social Science
(2023)
104
103263
(doi: 10.1016/j.erss.2023.103263)
Vitamin B12 bioaccumulation in Chlorella vulgaris grown on food waste-derived anaerobic digestate
Algal Research
(2023)
75
103290
(doi: 10.1016/j.algal.2023.103290)
Editorial overview: Artificial intelligence (AI) methodology in structural biology.
Current Opinion in Structural Biology
(2023)
82
102676
(doi: 10.1016/j.sbi.2023.102676)
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows
The Journal of Chemical Physics
(2023)
159
124801
(doi: 10.1063/5.0156845)
Spatiotemporal distribution of pollutants and impact of local meteorology on source influence on pollutants’ level in a traffic air-shed in Lagos megacity, Nigeria
Environ Monit Assess
(2023)
195
1126
(doi: 10.1007/s10661-023-11757-x)
Electrochemical and genetic tools for analysing and engineering bioenergetic processes in cyanobacteria
(2023)
(doi: 10.17863/CAM.104807)
Metal-Organic Framework Supercapacitors: Challenges and Opportunities
(2023)
Quantum Nuclear Delocalization and its Rovibrational Fingerprints.
Angewandte Chemie International Edition
(2023)
62
e202306744
(doi: 10.1002/anie.202306744)